Hydrochloric Acid → 1'-{[3-(trifluoromethyl)pyridin-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one

HRID 1211036Notes

Reaction equation

HRID 1211036 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6]1.[Cl:36][CH2:37][c:38]1[n:39][cH:40][cH:41][cH:42][c:43]1[C:44]([F:45])([F:46])[F:47].[Cl:48][CH2:49][Cl:50].[ClH:35].[Cs+:33].[Cs+:34].[NH:7]1[C:8](=[O:28])[C:9]2([CH2:10][O:11][c:12]3[cH:13][c:14]4[c:15]([cH:20][c:21]32)[O:16][CH2:17][CH2:18][O:19]4)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]21.[OH2:51]>>[N:7]1([CH2:37][c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[C:44]([F:45])([F:46])[F:47])[C:8](=[O:28])[C:9]2([CH2:10][O:11][c:12]3[cH:13][c:14]4[c:15]([cH:20][c:21]32)[O:16][CH2:17][CH2:18][O:19]4)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]21

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 183617372-(Chloromethyl)-3-(trifluoromethyl)pyridineHCID 58224164Spiro[furo[2,3-g]-1,4-benzodioxin-8(7H),3'-[3H]indol]-2'(1'H)-one, 2,3-dihydro

Product 1

HCID 513521191'-{[3-(trifluoromethyl)pyridin-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one

Sources & evidence

ORD record
ord-5821a5001c5f4fa9a9e7e7799ee0e0e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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